Dasyscyphin C
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Formula: C28H40O8
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Molecular weight: 504.60
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Smiles: CC1(CCCC2(C1CCC3(C2CC4C3(C=C(C(=O)C4=O)COC(=O)CC(C)(CC(=O)O)O)O)C)C)C
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Type: Terpenoid
Dasyscyphin C
Names
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Mycotoxin name: Dasyscyphin C
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First synonym: None
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Synonyms: Dasyscyphin C,5-[[(4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4a,5,6,10a,11,11a-octahydro-1H-benzo[a]fluoren-8-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid,5-(((4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4a,5,6,10a,11,11a-octahydro-1H-benzo(a)fluoren-8-yl)methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid,CHEMBL526755,CHEBI:210583,5-[[(4aS,6aS,6bR,10aS,11aR,11bS)-6b-hydroxy-4,4,6a,11b-tetramethyl-9,10-dioxo-2,3,4a,5,6,10a,11,11a-octahydro-1H-benzo[a]luoren-8-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid
Identifiers / External links
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PubChem CID: 11562458
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ChemSpiderID: 9737232
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ChEMBL: CHEMBL526755
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Chemical Entities of Biological Interest (CHEBI): CHEBI:210583
Structure
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Smiles: CC1(CCCC2(C1CCC3(C2CC4C3(C=C(C(=O)C4=O)COC(=O)CC(C)(CC(=O)O)O)O)C)C)C
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Isomeric smiles: C[C@]12CCCC([C@@H]1CC[C@]3([C@@H]2C[C@H]4[C@@]3(C=C(C(=O)C4=O)COC(=O)CC(C)(CC(=O)O)O)O)C)(C)C
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Inchi: InChI=1S/C28H40O8/c1-24(2)8-6-9-26(4)18(24)7-10-27(5)19(26)11-17-23(33)22(32)16(12-28(17,27)35)15-36-21(31)14-25(3,34)13-20(29)30/h12,17-19,34-35H,6-11,13-15H2,1-5H3,(H,29,30)/t17-,18+,19-,25?,26+,27+,28-/m1/s1
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Inchikey: VBYFVFMZJVTSHX-YHKOIMIKSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H40O8
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Molecular weight: 504.60
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Monoisotopic mass: 504.27231823
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Fungi
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Fungi id Species